4-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonyl chloride

C10H8Cl2F2O3S — CID 106437252

IUPAC4-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonyl chloride
SMILESCC(=CCl)COc1c(F)cc(S(=O)(=O)Cl)cc1F
InChIInChI=1S/C10H8Cl2F2O3S/c1-6(4-11)5-17-10-8(13)2-7(3-9(10)14)18(12,15)16/h2-4H,5H2,1H3
InChIKeyNWJWYOALMNLVBK-UHFFFAOYSA-N
MW317.14 g/mol
LogP3.41
Rot. Bonds4

About 4-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonyl chloride

4-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonyl chloride (PubChem CID 106437252) has the molecular formula C10H8Cl2F2O3S and a molecular weight of 317.14 g/mol. Its IUPAC name is 4-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonyl chloride
PubChem CID106437252
Molecular FormulaC10H8Cl2F2O3S
Molecular Weight317.14 g/mol
Exact Mass315.95
IUPAC Name4-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonyl chloride
SMILESCC(=CCl)COc1c(F)cc(S(=O)(=O)Cl)cc1F
InChIInChI=1S/C10H8Cl2F2O3S/c1-6(4-11)5-17-10-8(13)2-7(3-9(10)14)18(12,15)16/h2-4H,5H2,1H3
InChIKeyNWJWYOALMNLVBK-UHFFFAOYSA-N
XLogP3.41
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonyl chloride?
The IUPAC name of 4-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonyl chloride (CID 106437252) is 4-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonyl chloride.
What is the SMILES notation for 4-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonyl chloride?
The canonical SMILES for 4-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonyl chloride is CC(=CCl)COc1c(F)cc(S(=O)(=O)Cl)cc1F.
What is the InChIKey of 4-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonyl chloride?
The InChIKey is NWJWYOALMNLVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2F2O3S/c1-6(4-11)5-17-10-8(13)2-7(3-9(10)14)18(12,15)16/h2-4H,5H2,1H3.
What are the key properties of 4-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonyl chloride?
4-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonyl chloride has a molecular weight of 317.14 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonyl chloride is sourced from PubChem (CID 106437252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).